K936-0105 Screening compound: ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate

K936-0105 Screening compound: ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate
K936-0105 Screening compound: ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K936-0105
ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K936-0105

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H4H-thieno[23-d]pyrimidine-6-carbonyl}piperidine-3-carboxylate

SMILES

CCCNC(CN(C=Nc1c2c(C)c(C(N(CCC3)CC3C(OCC)=O)=O)s1)C2=O)=O

InChI

InChI=1S/C21H28N4O5S/c1-4-8-22-15(26)11-25-12-23-18-16(19(25)27)13(3)17(31-18)20(28)24-9-6-7-14(10-24)21(29)30-5-2/h12,14H,4-11H2,1-3H3,(H,22,26)/t14-/m0/s1

InChI Key

CDTWZLQECXRKBG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05033339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.180

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-1.93

Polar Surface Area

88.161

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

K936-0105 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K936-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K936-0105?
Check Price and Availability of K936-0105, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K936-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K936-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K936-0105
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K936-0105 available by request